(2-chloranyl-5-methylsulfanyl-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-methylsulfanyl-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-chloro-5-methylsulfanyl-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2-chloro-5-(methylthio)phenyl]-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-methylsulfanylphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2-chloro-5-(methylthio)phenyl]-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C18H18ClN3O5S2 MolecularWeight: 455.93562

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O5S2/c1-28-13-6-7-15(19)14(12-13)18(23)20-8-10-21(11-9-20)29(26,27)17-5-3-2-4-16(17)22(24)25/h2-7,12H,8-11H2,1H3